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1-(5,8-diethanoyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride

1-(5,8-diethanoyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride

Systemtic Name:1-(5,8-diethanoyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride
Openeye Name:1-(5,8-diacetyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride
CAS Name:1-(5,8-diacetyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride
IUPAC Name:1-(5,8-diacetyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride
Traditional Name:1-(5,8-diacetyl-1,4-diaza-7-azanidacyclonon-2-yl)ethanone; titanium(4+); trichloride
Formula: C12H20Cl3N3O3Ti
MolecularWeight: 408.5315
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CNC(C[N-]C(CN1)C(=O)C)C(=O)C.[Cl-].[Cl-].[Cl-].[Ti+4]


Isomeric SMILES

CC(=O)C1CNC(C[N-]C(CN1)C(=O)C)C(=O)C.[Cl-].[Cl-].[Cl-].[Ti+4]


InChI

InChI=1S/C12H20N3O3.3ClH.Ti/c1-7(16)10-4-14-12(9(3)18)6-15-11(5-13-10)8(2)17;;;;/h10-14H,4-6H2,1-3H3;3*1H;/q-1;;;;+4/p-3


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